CID 3079490

N-methyl-n-(5-(2-biphenylyloxy)pentyl)amine hydrochloride

Structural Information

Molecular Formula
C18H23NO
SMILES
CNCCCCCOC1=CC=CC=C1C2=CC=CC=C2
InChI
InChI=1S/C18H23NO/c1-19-14-8-3-9-15-20-18-13-7-6-12-17(18)16-10-4-2-5-11-16/h2,4-7,10-13,19H,3,8-9,14-15H2,1H3
InChIKey
QBBDCYHPNWUKOX-UHFFFAOYSA-N
Compound name
N-methyl-5-(2-phenylphenoxy)pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.17798 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18526 165.0
[M+Na]+ 292.16720 169.9
[M-H]- 268.17070 170.8
[M+NH4]+ 287.21180 180.9
[M+K]+ 308.14114 165.5
[M+H-H2O]+ 252.17524 156.5
[M+HCOO]- 314.17618 189.3
[M+CH3COO]- 328.19183 202.1
[M+Na-2H]- 290.15265 170.6
[M]+ 269.17743 166.6
[M]- 269.17853 166.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.